Potassium Cation → HCID 66758677, compound

HRID 1222165Notes

Reaction equation

HRID 1222165 reaction equation
[Br:27][CH2:28][CH2:29][CH:30]=[C:31]1[c:32]2[c:33]([cH:42][cH:43][c:44]([C:46]([CH3:47])([CH3:48])[OH:49])[cH:45]2)[O:34][CH2:35][c:36]2[c:37]1[cH:38][cH:39][cH:40][n:41]2.[C:21](=[O:22])([O-:23])[O-:24].[CH3:1][O:2][C:3]([CH2:4][N:5]([CH:6]1[CH2:7][CH2:8][NH:9][CH2:10][CH2:11]1)[CH2:12][c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1)=[O:20].[CH3:50][C:51]#[N:52].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[K+:25].[K+:26].[OH2:53]>>[CH3:1][O:2][C:3]([CH2:4][N:5]([CH:6]1[CH2:7][CH2:8][N:9]([CH2:28][CH2:29][CH:30]=[C:31]2[c:32]3[c:33]([cH:42][cH:43][c:44]([C:46]([CH3:47])([CH3:48])[OH:49])[cH:45]3)[O:34][CH2:35][c:36]3[c:37]2[cH:38][cH:39][cH:40][n:41]3)[CH2:10][CH2:11]1)[CH2:12][c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1)=[O:20]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 666859992-[5-(3-Bromo-propylidene)-5,1 1-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-olHCID 66758015HCID 66758015, compound

Product 1

HCID 66758677HCID 66758677, compound

Sources & evidence

ORD record
ord-596268778fd24a5eab223e7e4480267f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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